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EVODEX.1-P698

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:47](=[O:46])[C:48]1:[C:49]([H:86]):[C:50]([H:87]):[C:51]([H:88]):[C:52]2:[C:53]([H:89]):[C:54]([H:90]):[C:55]([H:91]):[C:56]([H:92]):[C:57]:1:2>>[H]O[C:47](=[O:46])[C:48]1:[C:49]([H:86]):[C:50]([H:87]):[C:51]([H:88]):[C:52]2:[C:53]([H:89]):[C:54]([H:90]):[C:55]([H:91]):[C:56]([H:92]):[C:57]:1:2

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E406 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:2]=[#6:3](-[#6:4])-[H]>>[#8](-[#6:3](=[#8:2])-[#6:4])-[H]

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]>>[H]-[#8]-[#6:5]

EVODEX.1-N32 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]

EVODEX.1-Em302 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:47](=[#8:46])-[#6:48]>>[H]-[#8]-[#6:47](=[#8:46])-[#6:48]

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5]>>[#8]-[#6:5]

EVODEX.1-Nm104 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]

Source Full Reactions

EVODEX.1-R729

Full Reaction Rendering

[O:14]=[O:15].[H][C:3](=[O:2])[C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]2:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]:1:2.[H][O:1][H:24]>>[H][O:14][O:15][H].[O:1]([C:3](=[O:2])[C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]2:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]:1:2)[H:24]

EVODEX.1-R653

Full Reaction Rendering

[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:58]):[C:6]([H:59]):[C:7]([H:60]):[N+:8]([C@:9]2([H:61])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:62])[O:17][P:18](=[O:19])([O:20][H:63])[O:21][C:22]([C@@:23]3([H:64])[O:24][C@:25]([N:26]4:[C:27]([H:65]):[N:28]:[C:29]5:[C:30]([N:31]([H:66])[H:67]):[N:32]:[C:33]([H:68]):[N:34]:[C:35]:4:5)([H:69])[C@@:36]([O:37][H:70])([H:71])[C@@:38]3([O:39][H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[C@:40]([O:41][H:79])([H:80])[C@:42]2([O:43][H:81])[H:82]):[C:44]:1[H:83])([H:84])[H:85].[H][C:47](=[O:46])[C:48]1:[C:49]([H:86]):[C:50]([H:87]):[C:51]([H:88]):[C:52]2:[C:53]([H:89]):[C:54]([H:90]):[C:55]([H:91]):[C:56]([H:92]):[C:57]:1:2.[H][O:45][H:94]>>[HH].[H][C:5]1([H:58])[C:4]([C:2]([N:1]([H:84])[H:85])=[O:3])=[C:44]([H:83])[N:8]([C@:9]2([H:61])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:62])[O:17][P:18](=[O:19])([O:20][H:63])[O:21][C:22]([C@@:23]3([H:64])[O:24][C@:25]([N:26]4:[C:27]([H:65]):[N:28]:[C:29]5:[C:30]([N:31]([H:66])[H:67]):[N:32]:[C:33]([H:68]):[N:34]:[C:35]:4:5)([H:69])[C@@:36]([O:37][H:70])([H:71])[C@@:38]3([O:39][H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[C@:40]([O:41][H:79])([H:80])[C@:42]2([O:43][H:81])[H:82])[C:7]([H:60])=[C:6]1[H:59].[O:45]([C:47](=[O:46])[C:48]1:[C:49]([H:86]):[C:50]([H:87]):[C:51]([H:88]):[C:52]2:[C:53]([H:89]):[C:54]([H:90]):[C:55]([H:91]):[C:56]([H:92]):[C:57]:1:2)[H:94]